2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-(1,3-oxazol-4-ylmethoxy)imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone

C24H21F2N3O5 — CID 167587421

About 2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-(1,3-oxazol-4-ylmethoxy)imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone

2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-(1,3-oxazol-4-ylmethoxy)imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone (PubChem CID 167587421) has the molecular formula C24H21F2N3O5 and a molecular weight of 469.44 g/mol. Its IUPAC name is 2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-(1,3-oxazol-4-ylmethoxy)imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone.

Molecular Properties

• Compound Name: 2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-(1,3-oxazol-4-ylmethoxy)imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone
• PubChem CID: 167587421
• Molecular Formula: C24H21F2N3O5
• Molecular Weight: 469.44 g/mol
• Exact Mass: 469.14
• IUPAC Name: 2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-(1,3-oxazol-4-ylmethoxy)imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone
• SMILES: COc1cc(-c2cnc3cc(OCc4cocn4)ccn23)cc(OC(F)F)c1C(=O)CC1CC1
• InChI: InChI=1S/C24H21F2N3O5/c1-31-20-7-15(8-21(34-24(25)26)23(20)19(30)6-14-2-3-14)18-10-27-22-9-17(4-5-29(18)22)33-12-16-11-32-13-28-16/h4-5,7-11,13-14,24H,2-3,6,12H2,1H3
• InChIKey: HZCTZGFCIOTIAX-UHFFFAOYSA-N
• XLogP: 5.16
• TPSA: 88.09 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.44
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-(1,3-oxazol-4-ylmethoxy)imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone?

The IUPAC name of 2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-(1,3-oxazol-4-ylmethoxy)imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone (CID 167587421) is 2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-(1,3-oxazol-4-ylmethoxy)imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone.

What is the SMILES notation for 2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-(1,3-oxazol-4-ylmethoxy)imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone?

The canonical SMILES for 2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-(1,3-oxazol-4-ylmethoxy)imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone is COc1cc(-c2cnc3cc(OCc4cocn4)ccn23)cc(OC(F)F)c1C(=O)CC1CC1.

What is the InChIKey of 2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-(1,3-oxazol-4-ylmethoxy)imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone?

The InChIKey is HZCTZGFCIOTIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N3O5/c1-31-20-7-15(8-21(34-24(25)26)23(20)19(30)6-14-2-3-14)18-10-27-22-9-17(4-5-29(18)22)33-12-16-11-32-13-28-16/h4-5,7-11,13-14,24H,2-3,6,12H2,1H3.

What are the key properties of 2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-(1,3-oxazol-4-ylmethoxy)imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone?

2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-(1,3-oxazol-4-ylmethoxy)imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone has a molecular weight of 469.44 g/mol, XLogP of 5.16, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-(1,3-oxazol-4-ylmethoxy)imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone is sourced from PubChem (CID 167587421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).